SCHEMBL2303631

SCHEMBL2303631

Nc1ccnc(OC(F)(F)F)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NOS3 P29474 3/20 0.38
▸ NOS2 P35228 3/20 0.38
▸ ASIC3 Q9UHC3 1/20 0.37
▸ HRH4 Q9H3N8 4/20 0.35
▸ LOX P28300 1/20 0.35
▸ LOXL2 Q9Y4K0 1/20 0.35
▸ SCN5A Q14524 2/20 0.35
▸ SCN9A Q15858 2/20 0.35
▸ KCNH2 Q12809 1/20 0.35
▸ NOS1 P29475 2/20 0.34
▸ NPC1 O15118 2/20 0.33
▸ RAB9A P51151 2/20 0.33
▸ GAA P10253 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ ABL1 P00519 1/20 0.33
▸ BCR P11274 1/20 0.33
▸ GMNN O75496 1/20 0.33
▸ USP2 O75604 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL19678810 0.82 ASIC3 (0.38) NOS3NOS2ASIC3LOXLOXL2
SCHEMBL16289613 0.80 UHRF1 (0.45) NOS3NOS2LOXLOXL2NOS1
SCHEMBL109903 0.77 ALDH1A1 (0.48) NOS3NOS2ASIC3HRH4LOX
SCHEMBL16289610 0.76 CYP1A2 (0.32) NOS3NOS2CYP1A2
SCHEMBL24998589 0.76 TRPV1 (0.34) NOS3NOS2NPC1RAB9AMEN1
SCHEMBL23717247 0.76 TRPV4 (0.32) NOS3NOS2SCN5ASCN9AKCNH2
SCHEMBL23005292 0.76 CYP1A2 (0.32) NOS3NOS2CYP1A2
SCHEMBL30488651 0.76 CYP1A2 (0.32) NOS3NOS2CYP1A2
SCHEMBL25302623 0.76 LOXL2 (0.61) LOXLOXL2
SCHEMBL18083198 0.76 NOS3 (0.47) NOS3NOS2LOXLOXL2KCNH2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025054339-A1 TRIAZOLOPYRIDINE COMPOUNDS AS INHIBITORS OF KIT ARCUS BIOSCIENCES, INC. (US) 2025-03-13 — — WO disclosed
WO-2024151919-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY IFM DUE, INC. (US) 2024-07-18 — — WO disclosed
EP-2350008-B1 METHOD FOR THE PREPARATION OF FUNCTIONALIZED TRIHALOMETHOXY SUBSTITUTED PYRIDINES BAYER CROPSCIENCE AG (DE) 2012-09-05 — — EP disclosed
EP-2350008-A1 METHOD FOR THE PREPARATION OF FUNCTIONALIZED TRIHALOMETHOXY SUBSTITUTED PYRIDINES Bayer CropScience AG (DE) 2011-08-03 — — EP disclosed
WO-2010040461-A1 METHOD FOR THE PREPARATION OF FUNCTIONALIZED TRIHALOMETHOXY SUBSTITUTED PYRIDINES BAYER CROPSCIENCE AG (DE) 2010-04-15 — — WO disclosed
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